bis(N,N-dimethyl-4-[3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]cyclohexan-1-amine);bis(3-(1-methylpyrazol-4-yl)-5-(4-piperidin-1-ylcyclohexyl)-1H-pyrrolo[2,3-b]pyridine);3-(1-methylpyrazol-4-yl)-5-[4-(4-propan-2-ylpiperazin-1-yl)cyclohexyl]-1H-pyrrolo[2,3-b]pyridine;2-[[4-[3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]cyclohexyl]amino]ethanol

C125H167N31O — CID 157145937

IUPACbis(N,N-dimethyl-4-[3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]cyclohexan-1-amine);bis(3-(1-methylpyrazol-4-yl)-5-(4-piperidin-1-ylcyclohexyl)-1H-pyrrolo[2,3-b]pyridine);3-(1-methylpyrazol-4-yl)-5-[4-(4-propan-2-ylpiperazin-1-yl)cyclohexyl]-1H-pyrrolo[2,3-b]pyridine;2-[[4-[3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]cyclohexyl]amino]ethanol
SMILESCC(C)N1CCN(C2CCC(c3cnc4[nH]cc(-c5cnn(C)c5)c4c3)CC2)CC1.CN(C)C1CCC(c2cnc3[nH]cc(-c4cnn(C)c4)c3c2)CC1.CN(C)C1CCC(c2cnc3[nH]cc(-c4cnn(C)c4)c3c2)CC1.Cn1cc(-c2c[nH]c3ncc(C4CCC(N5CCCCC5)CC4)cc23)cn1.Cn1cc(-c2c[nH]c3ncc(C4CCC(N5CCCCC5)CC4)cc23)cn1.Cn1cc(-c2c[nH]c3ncc(C4CCC(NCCO)CC4)cc23)cn1
InChIInChI=1S/C24H34N6.2C22H29N5.C19H25N5O.2C19H25N5/c1-17(2)29-8-10-30(11-9-29)21-6-4-18(5-7-21)19-12-22-23(15-26-24(22)25-13-19)20-14-27-28(3)16-20;2*1-26-15-18(13-25-26)21-14-24-22-20(21)11-17(12-23-22)16-5-7-19(8-6-16)27-9-3-2-4-10-27;1-24-12-15(10-23-24)18-11-22-19-17(18)8-14(9-21-19)13-2-4-16(5-3-13)20-6-7-25;2*1-23(2)16-6-4-13(5-7-16)14-8-17-18(11-21-19(17)20-9-14)15-10-22-24(3)12-15/h12-18,21H,4-11H2,1-3H3,(H,25,26);2*11-16,19H,2-10H2,1H3,(H,23,24);8-13,16,20,25H,2-7H2,1H3,(H,21,22);2*8-13,16H,4-7H2,1-3H3,(H,20,21)
InChIKeyAKRWTKZSCYJFPE-UHFFFAOYSA-N
MW2119.93 g/mol
LogP22.64
Rot. Bonds21

About bis(N,N-dimethyl-4-[3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]cyclohexan-1-amine);bis(3-(1-methylpyrazol-4-yl)-5-(4-piperidin-1-ylcyclohexyl)-1H-pyrrolo[2,3-b]pyridine);3-(1-methylpyrazol-4-yl)-5-[4-(4-propan-2-ylpiperazin-1-yl)cyclohexyl]-1H-pyrrolo[2,3-b]pyridine;2-[[4-[3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]cyclohexyl]amino]ethanol

bis(N,N-dimethyl-4-[3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]cyclohexan-1-amine);bis(3-(1-methylpyrazol-4-yl)-5-(4-piperidin-1-ylcyclohexyl)-1H-pyrrolo[2,3-b]pyridine);3-(1-methylpyrazol-4-yl)-5-[4-(4-propan-2-ylpiperazin-1-yl)cyclohexyl]-1H-pyrrolo[2,3-b]pyridine;2-[[4-[3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]cyclohexyl]amino]ethanol (PubChem CID 157145937) has the molecular formula C125H167N31O and a molecular weight of 2119.93 g/mol. Its IUPAC name is bis(N,N-dimethyl-4-[3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]cyclohexan-1-amine);bis(3-(1-methylpyrazol-4-yl)-5-(4-piperidin-1-ylcyclohexyl)-1H-pyrrolo[2,3-b]pyridine);3-(1-methylpyrazol-4-yl)-5-[4-(4-propan-2-ylpiperazin-1-yl)cyclohexyl]-1H-pyrrolo[2,3-b]pyridine;2-[[4-[3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]cyclohexyl]amino]ethanol.

Molecular Properties

Compound Namebis(N,N-dimethyl-4-[3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]cyclohexan-1-amine);bis(3-(1-methylpyrazol-4-yl)-5-(4-piperidin-1-ylcyclohexyl)-1H-pyrrolo[2,3-b]pyridine);3-(1-methylpyrazol-4-yl)-5-[4-(4-propan-2-ylpiperazin-1-yl)cyclohexyl]-1H-pyrrolo[2,3-b]pyridine;2-[[4-[3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]cyclohexyl]amino]ethanol
PubChem CID157145937
Molecular FormulaC125H167N31O
Molecular Weight2119.93 g/mol
Exact Mass2118.40
IUPAC Namebis(N,N-dimethyl-4-[3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]cyclohexan-1-amine);bis(3-(1-methylpyrazol-4-yl)-5-(4-piperidin-1-ylcyclohexyl)-1H-pyrrolo[2,3-b]pyridine);3-(1-methylpyrazol-4-yl)-5-[4-(4-propan-2-ylpiperazin-1-yl)cyclohexyl]-1H-pyrrolo[2,3-b]pyridine;2-[[4-[3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]cyclohexyl]amino]ethanol
SMILESCC(C)N1CCN(C2CCC(c3cnc4[nH]cc(-c5cnn(C)c5)c4c3)CC2)CC1.CN(C)C1CCC(c2cnc3[nH]cc(-c4cnn(C)c4)c3c2)CC1.CN(C)C1CCC(c2cnc3[nH]cc(-c4cnn(C)c4)c3c2)CC1.Cn1cc(-c2c[nH]c3ncc(C4CCC(N5CCCCC5)CC4)cc23)cn1.Cn1cc(-c2c[nH]c3ncc(C4CCC(N5CCCCC5)CC4)cc23)cn1.Cn1cc(-c2c[nH]c3ncc(C4CCC(NCCO)CC4)cc23)cn1
InChIInChI=1S/C24H34N6.2C22H29N5.C19H25N5O.2C19H25N5/c1-17(2)29-8-10-30(11-9-29)21-6-4-18(5-7-21)19-12-22-23(15-26-24(22)25-13-19)20-14-27-28(3)16-20;2*1-26-15-18(13-25-26)21-14-24-22-20(21)11-17(12-23-22)16-5-7-19(8-6-16)27-9-3-2-4-10-27;1-24-12-15(10-23-24)18-11-22-19-17(18)8-14(9-21-19)13-2-4-16(5-3-13)20-6-7-25;2*1-23(2)16-6-4-13(5-7-16)14-8-17-18(11-21-19(17)20-9-14)15-10-22-24(3)12-15/h12-18,21H,4-11H2,1-3H3,(H,25,26);2*11-16,19H,2-10H2,1H3,(H,23,24);8-13,16,20,25H,2-7H2,1H3,(H,21,22);2*8-13,16H,4-7H2,1-3H3,(H,20,21)
InChIKeyAKRWTKZSCYJFPE-UHFFFAOYSA-N
XLogP22.64
TPSA330.70 Ų
H-Bond Donors8
H-Bond Acceptors26
Rotatable Bonds21
Heavy Atoms157
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002119.93
LogP ≤ 522.64
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1026

Analyze bis(N,N-dimethyl-4-[3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]cyclohexan-1-amine);bis(3-(1-methylpyrazol-4-yl)-5-(4-piperidin-1-ylcyclohexyl)-1H-pyrrolo[2,3-b]pyridine);3-(1-methylpyrazol-4-yl)-5-[4-(4-propan-2-ylpiperazin-1-yl)cyclohexyl]-1H-pyrrolo[2,3-b]pyridine;2-[[4-[3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]cyclohexyl]amino]ethanol with MolForge

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Launch Full Analysis

Related Compounds

3-(1-methylpyrazol-4-yl)-5-(4-pyrrolidin-1-ylcyclohexyl)-1H-pyrrolo[2,3-b]pyridine
CID 25024002
5-[4-(4-methyl-1,4-diazepan-1-yl)cyclohexyl]-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine
CID 25024004
5-[4-(3,3-difluoropyrrolidin-1-yl)cyclohexyl]-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine
CID 59238625
2-[[4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]cyclohexyl]amino]ethanol
CID 143731790
3-(1-methylpyrazol-4-yl)-5-[4-(4-propan-2-ylpiperazin-1-yl)cyclohexyl]-1-sulfanylpyrrolo[2,3-b]pyridine
CID 69051160
2-[[4-[3-(1-methylpyrazol-4-yl)-1-sulfanylpyrrolo[2,3-b]pyridin-5-yl]cyclohexyl]amino]ethanol
CID 69052567
5-(4-ethenylcyclohexyl)-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine
CID 147382339
5-[4-(4-methylpiperazin-1-yl)cyclohexyl]-3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine
CID 143731723
1-(benzenesulfonyl)-3-(1-methylpyrazol-4-yl)-5-[4-(4-propan-2-ylpiperazin-1-yl)cyclohexyl]pyrrolo[2,3-b]pyridine
CID 59238682
2-[[4-[1-(benzenesulfonyl)-3-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-5-yl]cyclohexyl]-propylamino]ethanol;2-[[4-[3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]cyclohexyl]-propylamino]ethanol
CID 157165611
N-ethyl-N-propan-2-yl-4-[3-(1H-pyrazol-1-ium-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]cyclohexan-1-amine
CID 143731842
4-[3-(1-methylpyrazol-4-yl)-1-sulfanylpyrrolo[2,3-b]pyridin-5-yl]-N-propan-2-ylcyclohexan-1-amine
CID 69051327

Frequently Asked Questions

What is the IUPAC name of bis(N,N-dimethyl-4-[3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]cyclohexan-1-amine);bis(3-(1-methylpyrazol-4-yl)-5-(4-piperidin-1-ylcyclohexyl)-1H-pyrrolo[2,3-b]pyridine);3-(1-methylpyrazol-4-yl)-5-[4-(4-propan-2-ylpiperazin-1-yl)cyclohexyl]-1H-pyrrolo[2,3-b]pyridine;2-[[4-[3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]cyclohexyl]amino]ethanol?
The IUPAC name of bis(N,N-dimethyl-4-[3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]cyclohexan-1-amine);bis(3-(1-methylpyrazol-4-yl)-5-(4-piperidin-1-ylcyclohexyl)-1H-pyrrolo[2,3-b]pyridine);3-(1-methylpyrazol-4-yl)-5-[4-(4-propan-2-ylpiperazin-1-yl)cyclohexyl]-1H-pyrrolo[2,3-b]pyridine;2-[[4-[3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]cyclohexyl]amino]ethanol (CID 157145937) is bis(N,N-dimethyl-4-[3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]cyclohexan-1-amine);bis(3-(1-methylpyrazol-4-yl)-5-(4-piperidin-1-ylcyclohexyl)-1H-pyrrolo[2,3-b]pyridine);3-(1-methylpyrazol-4-yl)-5-[4-(4-propan-2-ylpiperazin-1-yl)cyclohexyl]-1H-pyrrolo[2,3-b]pyridine;2-[[4-[3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]cyclohexyl]amino]ethanol.
What is the SMILES notation for bis(N,N-dimethyl-4-[3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]cyclohexan-1-amine);bis(3-(1-methylpyrazol-4-yl)-5-(4-piperidin-1-ylcyclohexyl)-1H-pyrrolo[2,3-b]pyridine);3-(1-methylpyrazol-4-yl)-5-[4-(4-propan-2-ylpiperazin-1-yl)cyclohexyl]-1H-pyrrolo[2,3-b]pyridine;2-[[4-[3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]cyclohexyl]amino]ethanol?
The canonical SMILES for bis(N,N-dimethyl-4-[3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]cyclohexan-1-amine);bis(3-(1-methylpyrazol-4-yl)-5-(4-piperidin-1-ylcyclohexyl)-1H-pyrrolo[2,3-b]pyridine);3-(1-methylpyrazol-4-yl)-5-[4-(4-propan-2-ylpiperazin-1-yl)cyclohexyl]-1H-pyrrolo[2,3-b]pyridine;2-[[4-[3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]cyclohexyl]amino]ethanol is CC(C)N1CCN(C2CCC(c3cnc4[nH]cc(-c5cnn(C)c5)c4c3)CC2)CC1.CN(C)C1CCC(c2cnc3[nH]cc(-c4cnn(C)c4)c3c2)CC1.CN(C)C1CCC(c2cnc3[nH]cc(-c4cnn(C)c4)c3c2)CC1.Cn1cc(-c2c[nH]c3ncc(C4CCC(N5CCCCC5)CC4)cc23)cn1.Cn1cc(-c2c[nH]c3ncc(C4CCC(N5CCCCC5)CC4)cc23)cn1.Cn1cc(-c2c[nH]c3ncc(C4CCC(NCCO)CC4)cc23)cn1.
What is the InChIKey of bis(N,N-dimethyl-4-[3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]cyclohexan-1-amine);bis(3-(1-methylpyrazol-4-yl)-5-(4-piperidin-1-ylcyclohexyl)-1H-pyrrolo[2,3-b]pyridine);3-(1-methylpyrazol-4-yl)-5-[4-(4-propan-2-ylpiperazin-1-yl)cyclohexyl]-1H-pyrrolo[2,3-b]pyridine;2-[[4-[3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]cyclohexyl]amino]ethanol?
The InChIKey is AKRWTKZSCYJFPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N6.2C22H29N5.C19H25N5O.2C19H25N5/c1-17(2)29-8-10-30(11-9-29)21-6-4-18(5-7-21)19-12-22-23(15-26-24(22)25-13-19)20-14-27-28(3)16-20;2*1-26-15-18(13-25-26)21-14-24-22-20(21)11-17(12-23-22)16-5-7-19(8-6-16)27-9-3-2-4-10-27;1-24-12-15(10-23-24)18-11-22-19-17(18)8-14(9-21-19)13-2-4-16(5-3-13)20-6-7-25;2*1-23(2)16-6-4-13(5-7-16)14-8-17-18(11-21-19(17)20-9-14)15-10-22-24(3)12-15/h12-18,21H,4-11H2,1-3H3,(H,25,26);2*11-16,19H,2-10H2,1H3,(H,23,24);8-13,16,20,25H,2-7H2,1H3,(H,21,22);2*8-13,16H,4-7H2,1-3H3,(H,20,21).
What are the key properties of bis(N,N-dimethyl-4-[3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]cyclohexan-1-amine);bis(3-(1-methylpyrazol-4-yl)-5-(4-piperidin-1-ylcyclohexyl)-1H-pyrrolo[2,3-b]pyridine);3-(1-methylpyrazol-4-yl)-5-[4-(4-propan-2-ylpiperazin-1-yl)cyclohexyl]-1H-pyrrolo[2,3-b]pyridine;2-[[4-[3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]cyclohexyl]amino]ethanol?
bis(N,N-dimethyl-4-[3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]cyclohexan-1-amine);bis(3-(1-methylpyrazol-4-yl)-5-(4-piperidin-1-ylcyclohexyl)-1H-pyrrolo[2,3-b]pyridine);3-(1-methylpyrazol-4-yl)-5-[4-(4-propan-2-ylpiperazin-1-yl)cyclohexyl]-1H-pyrrolo[2,3-b]pyridine;2-[[4-[3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]cyclohexyl]amino]ethanol has a molecular weight of 2119.93 g/mol, XLogP of 22.64, 21 rotatable bonds, 8 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for bis(N,N-dimethyl-4-[3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]cyclohexan-1-amine);bis(3-(1-methylpyrazol-4-yl)-5-(4-piperidin-1-ylcyclohexyl)-1H-pyrrolo[2,3-b]pyridine);3-(1-methylpyrazol-4-yl)-5-[4-(4-propan-2-ylpiperazin-1-yl)cyclohexyl]-1H-pyrrolo[2,3-b]pyridine;2-[[4-[3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]cyclohexyl]amino]ethanol is sourced from PubChem (CID 157145937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).